1-[1-benzothiophen-3-yl-(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1-benzothiophen-3-yl-(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-3-yl-(2-bromo-4,5-dimethoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-3-yl-(2-bromo-4,5-dimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-3-yl-(2-bromo-4,5-dimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-3-yl-(2-bromo-4,5-dimethoxy-phenyl)methyl]-1,4-diazepane Formula: C22H25BrN2O2S MolecularWeight: 461.4151

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CSC3=CC=CC=C32)N4CCCNCC4)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CSC3=CC=CC=C32)N4CCCNCC4)Br)OC

InChI

InChI=1S/C22H25BrN2O2S/c1-26-19-12-16(18(23)13-20(19)27-2)22(25-10-5-8-24-9-11-25)17-14-28-21-7-4-3-6-15(17)21/h3-4,6-7,12-14,22,24H,5,8-11H2,1-2H3